1,3,5-Trioxepane
[CAS# 5981-06-6]

Identification

• Name: 1,3,5-Trioxepane
• Synonyms: Nsc511991; 1,3,5-Trioxacycloheptane
• Molecular Formula: C₄H₈O₃
• Molecular Weight: 104.11
• CAS Registry Number: 5981-06-6
• SMILES: C1OCOCCO1
• InChI: 1S/C4H8O3/c1-2-6-4-7-3-5-1/h1-4H2
• InChIKey: ULAGGPJVDRGWTI-UHFFFAOYSA-N

Properties

• Density: 1.07g/cm³ (Cal.)
• Boiling point: 126.595°C at 760 mmHg (Cal.)
• Flash point: 37.513°C (Cal.)

References

• (1): Anna-Sara Claeson, Jan-Olof Levin, Göran Blomquist and Anna-Lena Sunesson. Volatile metabolites from microorganisms grown on humid building materials and synthetic media, J. Environ. Monit., 2002, 4, 667.